Geometry & MOs

Info

ID:	311678
PubChem CID:	126596863
Reduced:	ON2H26C37 (1)
Stoich.:	AB2C26D37 (1)
Weight, g/mol:	438.173213
ΔH_f, kcal/mol:	161.18
Dipole, Da:	4.93
IP(EA), eV:	-8.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3Z,5E)-5-carbazol-9-ylhepta-3,5-dien-1-yn-4-yl]dibenzofuran-2-amine

Drug info:

PubChemData

Smile

C1C(C=CC2=C1C3=C(O2)C=CC(=C3)C4=CC=CC=C4N5C6C=CC=CC6C7=CC=CC=C75)C8=CC=C(C=C8)C#N

DOS

IR

Vibrations